CID 9567517

Chembl360099

Structural Information

Molecular Formula

C₁₈H₂₁N₅O₂

SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H21N5O2/c1-13(24)20-15-6-8-16(9-7-15)21-18(25)22-19-12-14-4-10-17(11-5-14)23(2)3/h4-12H,1-3H3,(H,20,24)(H2,21,22,25)/b19-12+

InChIKey

GCRZRSVZOAFOKG-XDHOZWIPSA-N

Compound name

N-[4-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoylamino]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 339.16953 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	340.176806	181.4
[M+Na]+	362.158748	184.6
[M-H]-	338.162254	190.5
[M+NH4]+	357.203353	194.2
[M+K]+	378.132688	183.0
[M+H-H2O]+	322.166790	171.1
[M+HCOO]-	384.167731	210.3
[M+CH3COO]-	398.183381	228.6
[M+Na-2H]-	360.144196	185.2
[M]+	339.16898142	181.3
[M]-	339.17007858	181.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.